4QDK

Crystal structure of magnesium protoporphyrin IX methyltransferase (ChlM) from Synechocystis PCC 6803 with bound SAH

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL17U
Synchrotron site	SSRF
Beamline	BL17U
Temperature [K]	100
Detector technology	CCD
Collection date	2013-07-24
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.9793
Spacegroup name	P 1 21 1
Unit cell lengths	49.059, 98.876, 52.935
Unit cell angles	90.00, 95.84, 90.00

Refinement procedure

Resolution	36.043 - 1.700
R-factor	0.1899
Rwork	0.188
R-free	0.22420
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4qdj
RMSD bond length	0.003
RMSD bond angle	0.745
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHENIX (1.8.1_1168)
Refinement software	PHENIX ((phenix.refine: 1.8.1_1168))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	1.760
High resolution limit [Å]	1.700	1.700
Number of reflections	54275
Completeness [%]	99.5	98.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5.8	277	0.1M citrate sodium pH 5.8, 10% PEG 4000, 20% isopropanol, VAPOR DIFFUSION, SITTING DROP, temperature 277K