4MPL

Crystal structure of BMP9 at 1.90 Angstrom

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I04
Synchrotron site	Diamond
Beamline	I04
Temperature [K]	100
Detector technology	CCD
Collection date	2012-07-21
Detector	ADSC
Wavelength(s)	0.9795
Spacegroup name	I 41 2 2
Unit cell lengths	71.270, 71.270, 145.890
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	40.170 - 1.900
R-factor	0.2
Rwork	0.199
R-free	0.22370
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.008
RMSD bond angle	1.180
Data reduction software	MOSFLM
Data scaling software	SCALA (3.3.21)
Phasing software	PHASER (2.5.2)
Refinement software	PHENIX (1.8.2_1309)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	40.170	40.170	2.000
High resolution limit [Å]	1.900	6.010	1.900
Rmerge		0.036	0.752
Number of reflections	15096
<I/σ(I)>	15.6	16.7	1
Completeness [%]	99.3	98.7	98.6
Redundancy	7.8	6.9	8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.4	298	0.12M magnesium nitrate, 12% PEG3350, pH 7.4, VAPOR DIFFUSION, HANGING DROP, temperature 298K