3IML

Crystal Structure Of S-Adenosylmethionine Synthetase From Burkholderia Pseudomallei

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU MICROMAX-007 HF
Temperature [K]	100
Detector technology	CCD
Collection date	2009-07-29
Detector	RIGAKU SATURN 944+
Wavelength(s)	1.54178
Spacegroup name	C 1 2 1
Unit cell lengths	236.303, 119.443, 65.353
Unit cell angles	90.00, 105.98, 90.00

Refinement procedure

Resolution	28.310 - 2.350
R-factor	0.22
Rwork	0.218
R-free	0.25600
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	Swissmodel based on PDB entry 1RG9
RMSD bond length	0.011
RMSD bond angle	1.240
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	REFMAC (5.5.0088)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.430
High resolution limit [Å]	2.350	2.350
Rmerge	0.075	0.395
Number of reflections	71326
<I/σ(I)>	9.6
Completeness [%]	98.1	82.7
Redundancy	3.6	2.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	293	HAMPTON CRYSTAL SCREEN HT CONDITION B11. 100 MM HEPES PH 7.5, 30% PEG-400, 200 MM MGCL2. PROTEIN CONCENTRATION 26 MG/ML, VAPOR DIFFUSIONI, SITTING DROP, TEMPERATURE 293K, VAPOR DIFFUSION, SITTING DROP