3LVF

Crystal Structure of holo Glyceraldehyde-3-phosphate dehydrogenase 1 (GAPDH1) from methicillin resistant Staphylococcus aureus MRSA252 at 1.7 Angstrom resolution

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU MICROMAX-007 HF
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2009-05-14
Detector	RIGAKU RAXIS IV++
Wavelength(s)	1.5418
Spacegroup name	P 1 21 1
Unit cell lengths	68.180, 104.874, 91.191
Unit cell angles	90.00, 107.72, 90.00

Refinement procedure

Resolution	20.000 - 1.700
R-factor	0.19
Rwork	0.189
R-free	0.22100
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1hdg
RMSD bond length	0.006
RMSD bond angle	1.040
Data reduction software	d*TREK
Data scaling software	d*TREK (9.8L)
Phasing software	MOLREP
Refinement software	REFMAC (5.5.0095)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	30.780	30.780	1.760
High resolution limit [Å]	1.700	3.660	1.700
Rmerge	0.059	0.035	0.430
Rmeas	0.059
Total number of observations	448834	50949	42059
Number of reflections	126584
<I/σ(I)>	8.7	25.2	2.4
Completeness [%]	94.5	99	93.6
Redundancy	3.52	3.64	3.36

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8.5	277	0.1M Tris-HCl, pH8.5, 20% (w/v)PEG 4000, VAPOR DIFFUSION, HANGING DROP, temperature 277K