3PGY

Serine hydroxymethyltransferase from Staphylococcus aureus, S95P mutant.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 19-ID
Synchrotron site	APS
Beamline	19-ID
Temperature [K]	100
Detector technology	CCD
Collection date	2010-10-10
Detector	ADSC QUANTUM 315
Wavelength(s)	0.9792
Spacegroup name	P 21 21 21
Unit cell lengths	69.081, 86.531, 301.806
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	47.700 - 1.920
R-factor	0.1677
Rwork	0.166
R-free	0.20760
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2w7e
RMSD bond length	0.017
RMSD bond angle	1.598
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	MOLREP
Refinement software	REFMAC (5.5.0109)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	1.950
High resolution limit [Å]	1.920	5.210	1.920
Rmerge	0.085	0.032	0.807
Number of reflections	136110
<I/σ(I)>	8		2.02
Completeness [%]	98.0	99.8	95.4
Redundancy	6.1	6.3	6.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7	289	0.2 M tri-ammonium citrate, 20% PEG-3350, 10 mM glycine, 10 mM pyridoxal 5'-phosphate, pH 7.0, VAPOR DIFFUSION, SITTING DROP, temperature 289K