1BHQ

MAC-1 I DOMAIN CADMIUM COMPLEX

Experimental procedure

Source type	ROTATING ANODE
Source details	SIEMENS
Temperature [K]	287
Detector technology	AREA DETECTOR
Collection date	1994-08
Detector	SIEMENS
Spacegroup name	P 21 21 2
Unit cell lengths	48.420, 122.390, 75.360
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	10.000 - 2.700
R-factor	0.175
Rwork	0.175
Structure solution method	ISOMORPHOUS TO KNOWN PDB ENTRY 1IDN
Starting model (for MR)	CD11B I DOMAIN METAL FREE PDB ENTRY 1IDN
RMSD bond length	0.018
RMSD bond angle	0.036
Data reduction software	XENGEN
Data scaling software	XENGEN
Refinement software	PROLSQ

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	10.000	2.910
High resolution limit [Å]	2.700	2.650
Rmerge	0.097 *
Total number of observations	26642 *
Number of reflections	8618 *
<I/σ(I)>	10.6	3.1
Completeness [%]	43.9	43.3
Redundancy	3.1	1.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5		reservoir was mixed 1:1 with 3 microlitter protein *

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	20-30 (mg/ml)
2	1	drop	HEPES	50 (mM)
3	1	drop	sodium azide	0.025 (%)
4	1	reservoir	PEG6000	20-24 (%)
5	1	reservoir	sodium acetate	100 (mM)